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1H-Benzimidazole,1-[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-2-(difluoromethyl)- (475111-38-7)

Identification
Name:1H-Benzimidazole,1-[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-2-(difluoromethyl)-
Synonyms:4-Chloro-2-(2-difluoromethylbenzimidazol-1-yl)-6-morpholino-1,3,5-triazine;4-(4-Chloro-6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-yl)morpholine;
CAS:475111-38-7
Molecular Formula: C15H13ClF2N6O
Molecular Weight: 366.75
InChI: InChI=1/C15H13ClF2N6O/c16-13-20-14(23-5-7-25-8-6-23)22-15(21-13)24-10-4-2-1-3-9(10)19-12(24)11(17)18/h1-4,11H,5-8H2
Molecular Structure: (C15H13ClF2N6O) 4-Chloro-2-(2-difluoromethylbenzimidazol-1-yl)-6-morpholino-1,3,5-triazine;4-(4-Chloro-6-(2-(difluor...
Properties
Density:1.652 g/cm3
Refractive index:1.716
Specification:

The 4-(4-Chloro-6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-yl)morpholineis an organic compound with the formula C15H13ClF2N6O. The IUPAC name of this chemical is 4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine. With the CAS registry number 475111-38-7, it is also named as 1H-benzimidazole, 1-[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-2-(difluoromethyl)-. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 13; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 224; (8)ACD/KOC (pH 7.4): 225; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.716; (13)Molar Refractivity: 87.337 cm3; (14)Molar Volume: 222.028 cm3; (15)Polarizability: 34.623×10-24 cm3; (16)Surface Tension: 56.969 dyne/cm; (17)Enthalpy of Vaporization: 87.153 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 366.080743; (21)MonoIsotopic Mass: 366.080743; (22)Topological Polar Surface Area: 69; (23)Heavy Atom Count: 25; (24)Complexity: 458.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)c2nc1ccccc1n2c3nc(nc(Cl)n3)N4CCOCC4
(2)InChI: InChI=1/C15H13ClF2N6O/c16-13-20-14(23-5-7-25-8-6-23)22-15(21-13)24-10-4-2-1-3-9(10)19-12(24)11(17)18/h1-4,11H,5-8H2
(3)InChIKey: AJQZNMCGFMDKGJ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C15H13ClF2N6O/c16-13-20-14(23-5-7-25-8-6-23)22-15(21-13)24-10-4-2-1-3-9(10)19-12(24)11(17)18/h1-4,11H,5-8H2
(5)Std. InChIKey: AJQZNMCGFMDKGJ-UHFFFAOYSA-N

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